SCHEMBL8559020

SCHEMBL8559020

CCNC1CCc2[nH]c3ccc(O)cc3c2C1.CCNC1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
IGF1R P08069 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
MAPKAPK2 P49137 1/20 0.46
HTR1D P28221 3/20 0.46
HTR1B P28222 3/20 0.46
RB1 P06400 1/20 0.46
ADRA1A P35348 2/20 0.45
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7655639 0.95 HTR1D (0.50) EGFRIGF1RFLT4KDRMAPKAPK2
SCHEMBL7654350 0.88 HTR1D (0.51) EGFRIGF1RFLT4KDRMAPKAPK2
SCHEMBL7659740 0.86 HTR1A (0.52) HTR1DHTR1BRB1
SCHEMBL7662787 0.85 HTR1B (0.53) EGFRIGF1RFLT4KDRMAPKAPK2
SCHEMBL7656208 0.85 EGFR (0.53) EGFRIGF1RFLT4KDRMAPKAPK2
SCHEMBL8555902 0.82 HTR1A (0.47) EGFRIGF1RFLT4KDRMAPKAPK2
Hydrochloric Acid SCHEMBL8604088 0.81 EGFR (0.44) EGFRIGF1RFLT4KDRMAPKAPK2
SCHEMBL7663796 0.80 HTR2A (0.51) EGFRIGF1RFLT4KDRHTR1D
SCHEMBL7655690 0.80 EGFR (0.53) EGFRIGF1RFLT4KDRMAPKAPK2
SCHEMBL7657062 0.80 EGFR (0.51) EGFRIGF1RFLT4KDRMAPKAPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998011895-A1 A METHOD FOR THE PREVENTION OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-03-26 WO disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed